4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide

C9H14N2O3 — CID 142438445

IUPAC4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC1(NC(=O)C2C(=O)NCC2O)CC1
InChIInChI=1S/C9H14N2O3/c1-9(2-3-9)11-8(14)6-5(12)4-10-7(6)13/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyZWCNASCYUQTHIF-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.24
Rot. Bonds2

About 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide

4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 142438445) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID142438445
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide
SMILESCC1(NC(=O)C2C(=O)NCC2O)CC1
InChIInChI=1S/C9H14N2O3/c1-9(2-3-9)11-8(14)6-5(12)4-10-7(6)13/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14)
InChIKeyZWCNASCYUQTHIF-UHFFFAOYSA-N
XLogP-1.24
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-2-oxo-N-[1-(trifluoromethyl)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438408
N-(1-fluorocyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438416
ethane;4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide;propane
CID 142438437
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxamide
CID 142438446
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide
CID 142438461
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 142438491
(3S,4S)-4-hydroxy-3-methylpyrrolidin-2-one
CID 643118
4-hydroxy-2-oxo-N-[1-(trifluoromethoxy)cyclopropyl]pyrrolidine-3-carboxamide
CID 142438438
tert-butyl (3R,4S)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 24782027
tert-butyl (3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylate
CID 24782028
(3S,4R)-4-hydroxypyrrolidine-3-carboxamide
CID 67513115
(3S,4R)-3-(cyclopropylcarbamoyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 68541846

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide (CID 142438445) is 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide is CC1(NC(=O)C2C(=O)NCC2O)CC1.
What is the InChIKey of 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is ZWCNASCYUQTHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(2-3-9)11-8(14)6-5(12)4-10-7(6)13/h5-6,12H,2-4H2,1H3,(H,10,13)(H,11,14).
What are the key properties of 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide?
4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 198.22 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-methylcyclopropyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 142438445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).